NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 5.0514 8.3249 119.4073 57.7588 40.4085 175.0903 2 V 4.2150 8.2341 115.6961 59.1996 32.4642 176.0675 3 N 4.2962 9.0645 119.4957 56.5558 37.2046 176.5285 4 Q 4.0740 8.0583 119.3095 58.5240 29.0241 177.6946 5 H 4.1937 8.2053 119.1121 58.9263 29.8123 177.2875 6 L 3.9311 7.9758 120.9280 57.8592 41.6063 178.1500 7 C 4.2354 8.5306 119.0298 60.0473 44.2847 176.0763 8 G 3.4760 8.2111 107.1402 47.7397 0.0000 175.7593 9 S 4.1609 7.8045 115.9591 61.3992 63.0458 176.2468 10 H 4.2966 7.9271 119.9306 58.2826 28.3442 177.6842 11 L 3.9158 7.9909 121.2682 57.5525 41.3167 179.4345 12 V 3.4273 7.8228 118.2943 65.8351 31.4100 177.7170 13 E 3.9018 8.0100 118.3951 59.4127 29.5641 178.7920 14 A 4.0876 8.1968 120.5615 54.7213 18.2157 179.6979 15 L 3.7776 8.0959 118.3622 57.8578 41.6527 178.4482 16 Y 4.2650 8.2664 119.9297 60.9244 38.3962 178.2899 17 L 3.9081 7.8172 119.5219 58.1437 42.3299 178.8128 18 V 3.6728 7.6828 116.8758 66.2830 31.9626 176.9663 19 C 4.4813 8.6936 116.3622 57.4808 35.1667 174.9129 20 G 3.4009 8.2908 109.4137 47.0427 0.0000 175.1859 21 E 4.3485 8.7281 123.7416 56.8863 29.5920 177.5907 22 R 3.9271 7.8881 119.0737 56.7534 30.5215 178.0342 23 G 4.0028 8.0000 107.8246 44.4878 0.0000 171.5519 24 F 5.6202 7.9921 112.3603 55.0902 41.1258 173.8555 25 F 4.8252 8.8426 120.5936 56.5873 41.7907 173.7484 26 Y 4.7766 7.3290 124.1965 55.9153 40.8739 174.7582 27 T 4.6529 7.6914 114.5489 58.8246 72.6290 174.4019 28 D 4.3199 8.6250 121.8102 57.3488 40.7164 179.1152 29 K 3.8851 7.8926 119.3077 59.6120 32.3434 178.7187 30 A 4.1046 8.0926 120.6477 54.7876 18.1382 179.4686 31 A 3.8697 8.1886 120.1746 55.0069 18.3554 180.0391 32 K 4.0191 8.1481 117.2432 59.6148 32.1779 179.6941 33 G 3.6951 8.2193 106.0474 48.0373 0.0000 175.4881 34 I 3.7730 8.1488 121.2112 63.3192 37.8462 178.0845 35 V 3.2761 7.5734 119.5094 65.7175 31.1063 177.8816 36 E 3.9801 8.0151 117.8928 58.9927 29.4766 178.7636 37 Q 4.1133 8.2946 119.6660 59.1808 29.1820 176.7383 38 C 4.8677 8.7140 116.4124 56.9699 40.6627 173.4815 39 C 4.6319 8.0699 117.5210 57.0838 40.2528 174.1108 40 T 4.3208 7.8156 117.2162 64.5016 69.5990 174.7484 41 S 4.6355 7.7541 113.5155 56.1437 66.1528 173.2925 42 I 3.9325 8.2498 122.7384 61.8427 37.0303 176.5947 43 C 4.8123 8.5569 123.6989 55.7902 39.5841 173.9438 44 S 4.5550 9.7567 119.6278 57.5836 63.8991 175.3162 45 L 3.9936 8.2702 120.0694 57.8909 41.0014 179.0382 46 Y 4.2480 7.1826 115.7162 60.1969 38.2356 177.5622 47 Q 4.2941 8.1873 119.6289 58.5036 29.0484 178.1467 48 L 4.3056 7.8413 119.6745 57.5709 41.7057 178.6229 49 E 4.0161 8.2676 119.4063 59.4644 29.1499 178.7041 50 N 4.3757 7.6957 114.3787 55.9100 38.3004 175.9042 51 Y 4.3455 8.1813 116.4593 57.7893 38.2834 174.9638 52 C 4.8270 7.4458 118.0682 56.6853 41.1250 173.4870 53 N 4.5959 8.7882 118.9759 53.7936 38.0884 175.2998 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 F 8.32 5.05 0.00 3.09 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 8.23 4.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 3 N 9.06 4.30 0.00 2.91 3.07 0.00 0.00 6.25 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.06 4.07 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 5 H 8.21 4.19 0.00 3.22 3.47 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.98 3.93 0.00 1.92 1.73 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.53 4.24 0.00 2.95 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.21 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.80 4.16 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 7.93 4.30 0.00 3.22 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.99 3.92 0.00 1.85 1.57 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.82 3.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.01 0.00 0.00 13 E 8.01 3.90 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 14 A 8.20 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.10 3.78 0.00 1.18 0.70 0.19 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.27 4.27 0.00 3.23 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.82 3.91 0.00 1.77 1.91 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.68 3.67 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.89 0.00 0.00 19 C 8.69 4.48 0.00 3.20 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.29 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.73 4.35 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 22 R 7.89 3.93 0.00 1.99 2.03 0.00 3.46 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 23 G 8.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.99 5.62 0.00 3.20 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.84 4.83 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.33 4.78 0.00 2.93 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.69 4.65 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 28 D 8.63 4.32 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.89 3.89 0.00 1.87 1.80 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.58 7.81 30 A 8.09 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.19 3.87 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.15 4.02 0.00 2.01 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.48 7.81 33 G 8.22 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.15 3.77 1.40 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.04 0.79 0.00 0.00 35 V 7.57 3.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.91 0.00 0.00 36 E 8.02 3.98 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 37 Q 8.29 4.11 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 38 C 8.71 4.87 0.00 2.96 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.07 4.63 0.00 3.04 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.82 4.32 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 S 7.75 4.64 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.25 3.93 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.91 0.00 0.00 43 C 8.56 4.81 0.00 2.95 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.76 4.56 0.00 4.19 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.27 3.99 0.00 1.37 1.54 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.18 4.25 0.00 3.12 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.19 4.29 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 48 L 7.84 4.31 0.00 1.90 1.71 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.27 4.02 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 N 7.70 4.38 0.00 2.80 2.54 0.00 0.00 7.01 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.18 4.35 0.00 3.20 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 C 7.45 4.83 0.00 3.10 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.79 4.60 0.00 2.88 2.78 0.00 0.00 6.80 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00